==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-JUN-04 1WL3 . COMPND 2 MOLECULE: OCTOPRENYL-DIPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR R.T.GUO,C.J.KUO,Y.S.CHENG,Y.L.CHENG,P.H.LIANG,A.H.-J.WANG . 555 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 12 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 344 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 2 0 0 1 3 1 3 2 0 2 1 1 0 0 2 0 0 2 3 2 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 11 A Y > 0 0 208 0, 0.0 4,-1.1 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -59.4 -24.3 -24.5 65.5 2 12 A E H >> + 0 0 28 1,-0.2 4,-2.3 2,-0.2 3,-0.7 0.924 360.0 64.5 -66.5 -45.6 -23.5 -21.4 63.4 3 13 A L H 3> S+ 0 0 36 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.826 104.7 48.1 -45.9 -36.8 -27.1 -20.9 62.3 4 14 A E H 3> S+ 0 0 114 -3,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.837 108.8 52.0 -75.2 -35.1 -27.9 -20.2 66.0 5 15 A K H > - 0 0 31 0, 0.0 4,-1.2 0, 0.0 3,-0.6 -0.515 31.3-122.3 -72.7 142.6 -36.8 0.5 69.8 20 30 A E H >> S+ 0 0 127 1,-0.2 3,-1.5 2,-0.2 4,-0.8 0.941 110.3 64.9 -50.2 -49.7 -37.0 -2.4 72.3 21 31 A Q H >4 S+ 0 0 96 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.855 108.1 38.5 -37.8 -53.6 -40.8 -2.0 72.3 22 32 A I H X> S+ 0 0 0 -3,-0.6 3,-0.9 1,-0.2 4,-0.7 0.642 96.2 85.0 -77.5 -17.1 -41.0 -3.0 68.6 23 33 A M H X< S+ 0 0 16 -3,-1.5 3,-0.7 -4,-1.2 -1,-0.2 0.839 84.3 56.5 -54.8 -38.3 -38.3 -5.7 68.9 24 34 A K T << S+ 0 0 147 -4,-0.8 -1,-0.2 -3,-0.6 4,-0.2 0.813 107.3 49.4 -65.4 -30.8 -40.8 -8.4 70.1 25 35 A D T <4 S+ 0 0 31 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.517 75.4 115.2 -90.4 -7.6 -43.0 -8.0 67.0 26 36 A L S << S- 0 0 5 -4,-0.7 2,-3.3 -3,-0.7 59,-0.1 -0.483 79.4-114.3 -66.3 128.5 -40.5 -8.1 64.2 27 37 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.309 52.3-169.9 -62.2 72.3 -41.2 -11.3 62.1 28 38 A L - 0 0 41 -2,-3.3 -21,-0.0 -4,-0.2 -4,-0.0 -0.406 39.6 -0.9 -78.4 145.0 -37.9 -12.8 63.1 29 39 A Y + 0 0 66 -2,-0.1 -1,-0.1 -22,-0.1 2,-0.0 0.916 60.9 178.0 47.8 108.4 -36.2 -15.8 61.7 30 40 A G - 0 0 59 -3,-0.0 -2,-0.0 0, 0.0 51,-0.0 0.313 66.1 -48.6-101.9-126.1 -38.1 -17.7 59.0 31 41 A K - 0 0 151 -2,-0.0 5,-0.1 4,-0.0 -2,-0.0 0.737 65.3-152.7 -83.4 -22.8 -36.7 -20.8 57.3 32 42 A M > + 0 0 4 3,-0.1 4,-2.2 1,-0.1 3,-0.5 0.826 32.8 161.1 53.8 35.7 -33.4 -18.8 56.8 33 43 A L H > + 0 0 58 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.915 68.4 55.8 -49.4 -51.2 -32.7 -21.0 53.7 34 44 A R H > S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.861 107.4 48.1 -52.9 -42.4 -30.2 -18.4 52.4 35 45 A V H > S+ 0 0 0 -3,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.928 109.2 55.2 -65.5 -43.7 -28.2 -18.5 55.6 36 46 A R H X S+ 0 0 133 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.922 110.1 44.0 -55.7 -49.5 -28.2 -22.3 55.5 37 47 A L H X S+ 0 0 45 -4,-2.4 4,-3.9 2,-0.2 5,-0.3 0.962 111.4 53.1 -60.8 -52.8 -26.7 -22.5 52.0 38 48 A S H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.935 111.5 46.2 -47.1 -54.5 -24.1 -19.8 52.7 39 49 A I H X S+ 0 0 15 -4,-2.7 4,-2.2 1,-0.2 3,-0.4 0.977 114.1 48.5 -50.9 -59.5 -22.9 -21.7 55.7 40 50 A L H X S+ 0 0 61 -4,-2.8 4,-2.2 1,-0.3 -2,-0.2 0.855 111.9 49.5 -49.3 -40.9 -23.0 -24.9 53.6 41 51 A S H X S+ 0 0 1 -4,-3.9 4,-1.6 2,-0.2 -1,-0.3 0.884 106.1 57.4 -67.5 -37.7 -21.0 -23.1 50.9 42 52 A F H <>S+ 0 0 0 -4,-3.1 5,-2.3 -3,-0.4 4,-0.4 0.943 109.0 45.2 -56.1 -49.9 -18.6 -21.9 53.5 43 53 A K H ><5S+ 0 0 119 -4,-2.2 3,-2.5 1,-0.2 -2,-0.2 0.965 109.2 54.6 -58.0 -56.6 -17.8 -25.5 54.5 44 54 A N H 3<5S+ 0 0 90 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.748 112.0 44.9 -50.7 -29.6 -17.5 -26.7 50.9 45 55 A R T 3<5S- 0 0 101 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.441 111.7-121.0 -95.8 -1.5 -14.9 -24.0 50.2 46 56 A G T < 5 + 0 0 68 -3,-2.5 2,-0.6 -4,-0.4 -3,-0.2 0.922 59.9 149.6 62.7 45.0 -13.0 -24.7 53.4 47 57 A V < - 0 0 17 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.947 47.3-123.4-115.5 114.9 -13.5 -21.1 54.7 48 58 A E - 0 0 174 -2,-0.6 2,-0.9 1,-0.1 5,-0.0 -0.173 17.2-132.9 -53.2 144.6 -13.7 -20.7 58.5 49 59 A I + 0 0 28 4,-0.1 -1,-0.1 3,-0.0 -10,-0.0 -0.749 42.9 157.9-105.2 84.1 -16.8 -18.9 59.7 50 60 A G > - 0 0 35 -2,-0.9 4,-1.5 4,-0.0 5,-0.0 0.393 58.8 -68.4 -81.5-142.2 -15.6 -16.3 62.1 51 61 A E H > S+ 0 0 163 2,-0.2 4,-2.7 3,-0.1 5,-0.1 0.888 132.2 49.5 -83.2 -44.5 -17.2 -13.1 63.3 52 62 A D H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.834 113.2 51.7 -63.1 -29.9 -17.1 -11.1 60.1 53 63 A A H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 108.8 47.6 -70.2 -48.6 -18.6 -14.2 58.5 54 64 A I H X S+ 0 0 17 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.887 112.2 53.0 -59.2 -37.9 -21.4 -14.4 61.0 55 65 A S H X S+ 0 0 11 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.928 107.9 47.8 -63.8 -47.6 -21.9 -10.7 60.4 56 66 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.908 110.9 52.5 -60.0 -42.3 -22.2 -11.1 56.6 57 67 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.828 109.4 49.8 -62.2 -34.1 -24.6 -13.9 57.1 58 68 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.928 110.5 48.4 -70.5 -45.9 -26.7 -11.7 59.4 59 69 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.891 106.9 59.5 -59.8 -39.2 -26.7 -8.9 56.8 60 70 A L H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.915 109.9 40.2 -55.1 -48.1 -27.7 -11.5 54.2 61 71 A E H X S+ 0 0 16 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.802 110.2 59.7 -73.5 -30.7 -30.9 -12.4 56.1 62 72 A L H X S+ 0 0 1 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.943 100.5 54.5 -62.0 -48.6 -31.6 -8.7 57.0 63 73 A V H X S+ 0 0 2 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.879 111.9 46.2 -50.9 -41.6 -31.8 -7.8 53.3 64 74 A H H X S+ 0 0 32 -4,-1.0 4,-1.8 -5,-0.2 -1,-0.2 0.926 109.9 52.7 -67.5 -47.1 -34.4 -10.5 52.9 65 75 A L H X S+ 0 0 11 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.920 107.0 53.5 -54.3 -46.7 -36.3 -9.4 56.1 66 76 A A H X S+ 0 0 5 -4,-3.2 4,-1.4 1,-0.2 -1,-0.2 0.893 106.5 52.0 -56.0 -43.4 -36.4 -5.9 54.6 67 77 A S H X S+ 0 0 24 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.860 108.7 51.4 -63.1 -37.2 -38.0 -7.2 51.4 68 78 A L H X S+ 0 0 36 -4,-1.8 4,-2.1 2,-0.2 5,-0.3 0.965 104.1 54.8 -65.4 -53.5 -40.7 -9.1 53.4 69 79 A L H X S+ 0 0 7 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.845 112.2 46.2 -48.7 -37.8 -41.7 -6.1 55.5 70 80 A H H X S+ 0 0 12 -4,-1.4 4,-1.0 -5,-0.2 -1,-0.2 0.865 107.4 55.3 -76.7 -36.9 -42.3 -4.2 52.2 71 81 A D H >X S+ 0 0 30 -4,-1.9 4,-1.7 -3,-0.2 3,-1.3 0.985 108.7 48.8 -56.7 -58.5 -44.2 -6.9 50.4 72 82 A D H 3X>S+ 0 0 16 -4,-2.1 4,-3.0 1,-0.3 5,-1.1 0.777 104.2 56.1 -53.1 -38.0 -46.8 -7.2 53.2 73 83 A V H 3<5S+ 0 0 19 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.796 109.7 50.2 -67.8 -24.6 -47.6 -3.5 53.5 74 84 A I H <<5S+ 0 0 43 -3,-1.3 -2,-0.2 -4,-1.0 -1,-0.2 0.896 116.4 38.4 -77.2 -43.5 -48.4 -3.6 49.8 75 85 A D H <5S- 0 0 91 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.819 102.8-132.3 -77.4 -33.3 -50.7 -6.6 50.2 76 86 A G T <5 + 0 0 54 -4,-3.0 2,-0.3 -5,-0.2 -3,-0.2 0.927 39.8 170.7 80.4 48.3 -52.2 -5.5 53.5 77 87 A A < - 0 0 34 -5,-1.1 11,-0.3 1,-0.1 -1,-0.2 -0.724 31.2-158.8 -95.7 142.4 -51.9 -8.8 55.4 78 88 A R S S+ 0 0 120 -2,-0.3 7,-1.8 1,-0.1 2,-0.4 0.702 77.9 53.3 -88.4 -23.2 -52.6 -9.1 59.1 79 89 A F B -A 84 0A 126 5,-0.3 2,-0.4 9,-0.0 5,-0.2 -0.948 53.9-177.8-123.9 137.6 -50.6 -12.3 59.6 80 90 A R S S- 0 0 68 3,-3.5 3,-0.4 -2,-0.4 0, 0.0 -0.923 79.0 -31.6-131.8 103.3 -47.0 -13.2 58.6 81 91 A A S S- 0 0 102 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.871 129.9 -37.5 55.1 42.9 -46.0 -16.8 59.4 82 92 A G S S+ 0 0 78 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.628 123.2 89.8 88.2 13.8 -48.2 -17.1 62.4 83 93 A K S S- 0 0 49 -3,-0.4 -3,-3.5 -56,-0.0 2,-0.4 -0.988 83.3 -96.8-142.7 151.6 -47.8 -13.6 63.8 84 94 A E B -A 79 0A 61 -2,-0.3 -5,-0.3 -5,-0.2 -6,-0.1 -0.527 47.3-121.2 -70.1 122.6 -49.5 -10.2 63.4 85 95 A T > - 0 0 3 -7,-1.8 4,-1.8 -2,-0.4 3,-0.3 -0.088 19.0-111.2 -59.5 161.6 -47.6 -8.1 60.8 86 96 A I H >>S+ 0 0 1 1,-0.2 4,-3.3 2,-0.2 5,-0.5 0.892 115.6 57.1 -62.1 -42.6 -46.1 -4.7 61.7 87 97 A N H >5S+ 0 0 15 1,-0.2 4,-1.0 3,-0.2 -1,-0.2 0.802 107.4 47.7 -61.8 -31.4 -48.6 -2.9 59.5 88 98 A F H 45S+ 0 0 93 -3,-0.3 -1,-0.2 -11,-0.3 -2,-0.2 0.913 118.2 40.0 -75.6 -43.4 -51.6 -4.3 61.3 89 99 A M H <5S+ 0 0 65 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.2 0.905 137.8 11.7 -72.2 -43.9 -50.2 -3.6 64.8 90 100 A Y H <5S- 0 0 33 -4,-3.3 4,-0.3 1,-0.2 -3,-0.2 0.431 110.0-103.5-117.6 -0.1 -48.7 -0.2 64.1 91 101 A G X< - 0 0 3 -4,-1.0 4,-1.8 -5,-0.5 -1,-0.2 -0.076 39.5 -70.2 97.6 160.4 -50.0 0.9 60.7 92 102 A D H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.868 125.9 52.4 -57.6 -47.1 -48.6 1.1 57.2 93 103 A K H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.891 109.6 52.1 -60.9 -37.3 -46.2 4.0 57.6 94 104 A A H > S+ 0 0 0 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.928 111.0 47.1 -62.3 -46.1 -44.7 2.2 60.6 95 105 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.895 113.0 47.5 -63.3 -44.2 -44.2 -1.0 58.5 96 106 A V H X S+ 0 0 5 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.959 113.0 49.1 -62.3 -50.0 -42.7 0.8 55.5 97 107 A A H X S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.889 110.4 52.3 -55.4 -41.9 -40.3 2.7 57.9 98 108 A A H >X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 3,-0.7 0.959 106.1 53.3 -59.9 -51.9 -39.4 -0.6 59.5 99 109 A G H 3X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.3 -2,-0.2 0.932 113.0 43.6 -48.1 -52.7 -38.6 -2.1 56.1 100 110 A D H 3X S+ 0 0 12 -4,-2.3 4,-1.2 1,-0.2 -1,-0.3 0.690 110.8 54.3 -69.9 -19.7 -36.2 0.8 55.3 101 111 A L H < S+ 0 0 19 -4,-2.3 3,-1.1 -5,-0.2 -2,-0.2 0.948 101.4 56.3 -61.9 -49.2 -19.9 -1.2 56.3 112 122 A E H 3< S+ 0 0 127 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.773 100.7 58.2 -52.8 -34.0 -18.4 -2.2 59.7 113 123 A I H 3< S- 0 0 26 -4,-0.9 -1,-0.3 -3,-0.2 2,-0.2 0.828 94.7-150.9 -69.2 -31.6 -16.7 -5.3 58.2 114 124 A G << + 0 0 26 -3,-1.1 -1,-0.2 -4,-0.9 5,-0.2 -0.561 46.3 129.9 86.7-161.0 -14.7 -3.2 55.7 115 125 A N > - 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0 0 44 -4,-2.0 4,-1.6 -5,-0.2 3,-1.3 -0.893 56.6-168.3-134.7 107.1 -50.0 -20.8 23.0 230 240 A P H 3> S+ 0 0 83 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.859 93.2 66.8 -58.7 -32.0 -51.1 -17.3 21.7 231 241 A E H 3> S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.871 102.3 46.7 -53.2 -38.8 -54.6 -18.6 22.2 232 242 A A H <> S+ 0 0 0 -3,-1.3 4,-1.9 -7,-0.3 -1,-0.2 0.890 110.0 51.5 -71.5 -41.1 -53.8 -18.6 25.9 233 243 A R H X S+ 0 0 77 -4,-1.6 4,-1.7 -7,-0.4 -2,-0.2 0.883 110.8 49.4 -63.2 -38.6 -52.3 -15.1 25.8 234 244 A Q H X S+ 0 0 106 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.935 108.4 52.5 -65.4 -46.9 -55.4 -13.9 24.1 235 245 A M H <>S+ 0 0 25 -4,-2.1 5,-2.7 1,-0.2 -2,-0.2 0.852 108.1 52.7 -56.9 -37.0 -57.6 -15.6 26.7 236 246 A F H ><5S+ 0 0 4 -4,-1.9 3,-1.4 3,-0.2 -1,-0.2 0.882 105.9 52.2 -67.4 -40.8 -55.6 -13.8 29.4 237 247 A E H 3<5S+ 0 0 91 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.825 108.6 50.5 -66.8 -32.0 -56.1 -10.3 27.9 238 248 A N T 3<5S- 0 0 109 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.305 113.4-121.6 -87.7 9.4 -59.8 -10.8 27.7 239 249 A R T < 5 + 0 0 107 -3,-1.4 2,-1.7 1,-0.2 3,-0.2 0.783 55.8 158.9 56.6 28.9 -59.7 -11.8 31.4 240 250 A D >< + 0 0 74 -5,-2.7 4,-2.1 1,-0.2 -1,-0.2 -0.594 3.2 161.4 -86.2 82.0 -61.3 -15.2 30.5 241 251 A W H > + 0 0 31 -2,-1.7 4,-3.9 2,-0.2 5,-0.4 0.978 67.1 55.0 -64.7 -62.3 -60.1 -17.1 33.6 242 252 A S H > S+ 0 0 104 1,-0.3 4,-1.0 -3,-0.2 -1,-0.2 0.819 116.7 41.9 -42.7 -37.1 -62.5 -20.1 33.5 243 253 A G H > S+ 0 0 15 2,-0.2 4,-3.6 3,-0.2 -1,-0.3 0.873 114.1 48.9 -80.4 -40.0 -61.3 -20.7 30.0 244 254 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.938 112.6 49.4 -64.0 -45.1 -57.6 -20.0 30.7 245 255 A M H X S+ 0 0 61 -4,-3.9 4,-1.1 1,-0.2 -1,-0.2 0.846 115.9 43.9 -61.0 -35.5 -57.8 -22.3 33.7 246 256 A S H X S+ 0 0 66 -4,-1.0 4,-1.9 -5,-0.4 -2,-0.2 0.911 112.0 51.2 -75.7 -45.1 -59.4 -24.9 31.4 247 257 A F H X S+ 0 0 16 -4,-3.6 4,-2.2 1,-0.2 -2,-0.2 0.891 109.0 53.0 -59.0 -40.7 -57.1 -24.4 28.5 248 258 A M H <>S+ 0 0 6 -4,-2.7 5,-1.8 1,-0.2 6,-0.4 0.854 110.1 45.0 -64.9 -37.4 -54.1 -24.8 30.9 249 259 A R H ><5S+ 0 0 179 -4,-1.1 3,-0.7 3,-0.2 -1,-0.2 0.813 110.7 59.9 -73.9 -28.3 -55.3 -28.2 32.3 250 260 A E H 3<5S+ 0 0 122 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.930 112.6 33.7 -63.3 -50.5 -56.0 -29.0 28.6 251 261 A K T 3<5S- 0 0 78 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.205 107.6-122.9 -92.6 15.2 -52.4 -28.6 27.5 252 262 A G T <>5 + 0 0 16 -3,-0.7 4,-2.4 -5,-0.1 5,-0.2 0.789 53.6 159.1 48.4 33.5 -51.1 -29.9 30.8 253 263 A I H > S+ 0 0 49 -6,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.890 110.1 50.6 -53.9 -43.8 -48.8 -27.1 35.0 255 265 A K H > S+ 0 0 105 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.915 108.3 51.9 -62.1 -44.0 -47.5 -30.7 34.6 256 266 A E H X S+ 0 0 71 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.889 110.0 49.9 -59.5 -40.8 -44.9 -29.6 32.1 257 267 A C H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.931 106.0 55.5 -63.1 -45.8 -43.7 -27.0 34.5 258 268 A E H X S+ 0 0 101 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.836 112.8 43.9 -56.4 -34.0 -43.5 -29.5 37.3 259 269 A E H X S+ 0 0 124 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.922 109.6 52.1 -78.4 -47.7 -41.2 -31.6 35.0 260 270 A T H X S+ 0 0 68 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.873 108.7 54.8 -56.8 -36.3 -39.0 -28.8 33.7 261 271 A L H X S+ 0 0 13 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.962 106.9 49.6 -59.7 -52.9 -38.4 -27.8 37.4 262 272 A K H X S+ 0 0 107 -4,-1.3 4,-2.7 2,-0.2 5,-0.3 0.873 106.6 55.2 -54.7 -43.3 -37.3 -31.4 38.2 263 273 A V H X S+ 0 0 97 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.977 111.0 44.6 -54.3 -57.5 -34.8 -31.4 35.3 264 274 A L H X S+ 0 0 64 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.836 113.2 51.9 -55.5 -38.2 -33.2 -28.2 36.5 265 275 A V H X S+ 0 0 49 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.909 112.1 43.9 -68.0 -44.1 -33.1 -29.5 40.1 266 276 A K H >X S+ 0 0 129 -4,-2.7 4,-4.3 1,-0.2 3,-0.6 0.955 111.3 54.2 -64.6 -50.4 -31.5 -32.9 39.3 267 277 A N H 3X S+ 0 0 72 -4,-2.7 4,-1.4 -5,-0.3 -1,-0.2 0.804 106.6 52.6 -53.5 -32.9 -29.0 -31.2 37.0 268 278 A V H 3X S+ 0 0 11 -4,-1.3 4,-0.6 -5,-0.2 -1,-0.3 0.852 115.5 40.4 -72.5 -34.4 -28.0 -28.9 39.9 269 279 A I H X< S+ 0 0 36 -4,-1.3 3,-0.6 -3,-0.6 -2,-0.2 0.894 112.2 56.2 -77.7 -42.3 -27.4 -32.0 42.0 270 280 A I H 3< S+ 0 0 129 -4,-4.3 3,-0.2 1,-0.2 -2,-0.2 0.804 118.1 34.3 -59.1 -31.0 -25.8 -33.9 39.2 271 281 A E H 3< S+ 0 0 129 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.460 124.0 41.0-105.4 -4.0 -23.2 -31.1 38.8 272 282 A N X< - 0 0 38 -4,-0.6 3,-3.1 -3,-0.6 4,-0.3 -0.392 63.0-178.9-144.1 63.4 -22.8 -30.0 42.4 273 283 A S G > S+ 0 0 91 1,-0.3 3,-1.4 -3,-0.2 -1,-0.1 0.731 76.4 67.0 -28.0 -51.8 -22.7 -33.0 44.6 274 284 A W G 3 S+ 0 0 56 1,-0.2 -1,-0.3 -230,-0.0 -230,-0.1 0.573 86.8 69.7 -55.0 -13.8 -22.4 -31.0 47.8 275 285 A L G < S+ 0 0 27 -3,-3.1 -1,-0.2 -7,-0.2 -2,-0.2 0.846 75.6 162.2 -73.2 -36.0 -25.9 -29.5 47.5 276 286 A R < 0 0 166 -3,-1.4 -2,-0.0 -4,-0.3 -3,-0.0 0.695 360.0 360.0 6.8 123.4 -27.7 -32.8 48.2 277 287 A D 0 0 201 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.459 360.0 360.0 64.3 360.0 -31.4 -33.3 49.3 278 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 279 11 B Y 0 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.0 -26.0 26.6 37.4 280 12 B E + 0 0 70 1,-0.2 37,-0.1 47,-0.1 0, 0.0 0.765 360.0 39.6 50.5 17.9 -24.5 24.9 40.5 281 13 B L S > S+ 0 0 33 36,-0.0 4,-1.0 3,-0.0 -1,-0.2 0.277 108.9 53.6-162.9 -30.1 -28.1 23.6 40.3 282 14 B E H > S+ 0 0 112 2,-0.2 4,-1.7 3,-0.1 5,-0.1 0.731 109.8 56.0 -83.6 -26.3 -28.7 23.1 36.6 283 15 B K H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.963 110.2 39.5 -67.8 -53.9 -25.5 21.0 36.8 284 16 B V H > S+ 0 0 0 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.796 110.4 60.7 -68.0 -29.7 -26.7 18.7 39.6 285 17 B K H X S+ 0 0 55 -4,-1.0 4,-2.4 2,-0.2 5,-0.2 0.956 107.0 46.8 -59.0 -46.6 -30.2 18.6 37.9 286 18 B E H X S+ 0 0 140 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.919 112.0 51.2 -57.3 -46.0 -28.3 17.2 34.9 287 19 B R H X S+ 0 0 59 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.905 108.7 50.1 -59.6 -46.5 -26.5 14.8 37.4 288 20 B I H X S+ 0 0 2 -4,-3.4 4,-2.7 2,-0.2 5,-0.3 0.981 111.3 46.9 -56.8 -60.2 -29.8 13.6 38.9 289 21 B E H X S+ 0 0 77 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.892 113.4 51.9 -48.6 -44.0 -31.4 12.8 35.6 290 22 B Q H X S+ 0 0 95 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.961 110.6 45.9 -58.0 -55.6 -28.2 11.1 34.6 291 23 B I H X S+ 0 0 7 -4,-3.0 4,-0.7 1,-0.2 3,-0.3 0.881 113.5 47.8 -57.0 -45.7 -28.1 8.9 37.7 292 24 B L H >X S+ 0 0 0 -4,-2.7 4,-3.5 1,-0.2 3,-1.3 0.907 105.0 61.4 -64.4 -40.3 -31.7 7.8 37.6 293 25 B S H 3< S+ 0 0 30 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.855 99.8 53.9 -54.2 -39.1 -31.4 7.0 33.9 294 26 B Q H 3< S+ 0 0 144 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.746 121.6 31.7 -68.8 -21.8 -28.8 4.3 34.6 295 27 B F H << S+ 0 0 47 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.2 0.732 110.1 63.7-107.0 -30.4 -31.2 2.7 37.1 296 28 B F S < S- 0 0 6 -4,-3.5 2,-0.1 -5,-0.1 -1,-0.1 -0.776 85.7-107.4-103.5 142.9 -34.8 3.3 35.8 297 29 B P >> - 0 0 39 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.467 33.9-119.8 -64.5 133.6 -36.4 2.1 32.6 298 30 B E H 3> S+ 0 0 130 1,-0.2 4,-1.1 2,-0.2 3,-0.5 0.870 108.8 66.0 -37.5 -53.0 -36.7 5.1 30.2 299 31 B Q H >4 S+ 0 0 108 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.879 112.2 30.1 -36.3 -63.4 -40.5 4.6 30.1 300 32 B I H X> S+ 0 0 0 -3,-0.7 3,-1.8 1,-0.2 4,-1.0 0.696 102.0 84.9 -74.6 -19.9 -41.0 5.5 33.8 301 33 B M H 3< S+ 0 0 10 -4,-1.9 3,-0.3 -3,-0.5 -1,-0.2 0.829 91.5 47.9 -50.8 -36.8 -38.0 7.8 33.7 302 34 B K T << S+ 0 0 137 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.561 105.7 58.2 -84.4 -9.4 -40.2 10.6 32.4 303 35 B D T <4 S+ 0 0 23 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.613 78.2 111.1 -95.4 -13.8 -43.0 10.1 34.9 304 36 B L S < S- 0 0 2 -4,-1.0 2,-2.0 -3,-0.3 3,-0.2 -0.282 78.5-119.7 -62.2 145.5 -40.9 10.7 38.1 305 37 B P + 0 0 29 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.403 52.6 166.3 -82.8 58.2 -41.6 13.9 40.1 306 38 B L + 0 0 24 -2,-2.0 2,-0.6 1,-0.2 37,-0.1 0.797 46.1 39.6 -48.1 -53.8 -38.0 14.8 39.4 307 39 B Y + 0 0 92 -3,-0.2 -1,-0.2 2,-0.0 2,-0.1 -0.868 58.4 155.8-119.2 113.1 -37.5 18.5 40.3 308 40 B G S S- 0 0 51 -2,-0.6 -2,-0.0 -3,-0.1 51,-0.0 -0.029 70.4 -58.4-101.5-151.6 -39.0 20.3 43.3 309 41 B K - 0 0 152 1,-0.1 5,-0.1 -2,-0.1 -2,-0.0 0.806 60.3-151.0 -63.9 -27.3 -37.9 23.4 45.1 310 42 B M >> + 0 0 6 3,-0.1 4,-2.2 1,-0.1 3,-0.6 0.845 33.0 162.5 57.2 36.4 -34.6 21.6 45.8 311 43 B L H 3> + 0 0 52 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.854 68.7 54.3 -52.1 -42.7 -34.2 23.6 49.0 312 44 B R H 3> S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.855 109.3 47.7 -64.0 -35.9 -31.6 21.2 50.4 313 45 B V H <> S+ 0 0 0 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.918 110.0 52.3 -70.8 -44.4 -29.4 21.5 47.3 314 46 B R H X S+ 0 0 133 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.894 112.7 44.8 -58.8 -43.8 -29.7 25.3 47.2 315 47 B L H X S+ 0 0 29 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.967 110.3 53.3 -65.2 -53.7 -28.6 25.6 50.9 316 48 B S H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.925 110.7 48.3 -46.7 -52.0 -25.7 23.0 50.5 317 49 B I H X S+ 0 0 15 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.937 108.3 52.4 -56.4 -49.4 -24.4 25.1 47.6 318 50 B L H X S+ 0 0 38 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.905 110.8 49.7 -53.1 -40.3 -24.6 28.3 49.6 319 51 B S H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 6,-0.3 0.896 106.3 55.4 -64.9 -41.5 -22.6 26.5 52.2 320 52 B F H <>S+ 0 0 0 -4,-2.5 5,-2.0 -5,-0.2 -2,-0.2 0.950 113.1 41.5 -54.5 -52.6 -20.1 25.3 49.7 321 53 B K H ><5S+ 0 0 105 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.910 111.5 53.9 -63.5 -46.7 -19.5 28.9 48.6 322 54 B N H 3<5S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.853 112.0 45.7 -58.5 -35.3 -19.5 30.4 52.1 323 55 B R T 3<5S- 0 0 100 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.403 113.6-121.6 -87.9 1.2 -16.8 27.9 53.2 324 56 B G T < 5 + 0 0 64 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.609 60.0 148.8 70.3 13.7 -14.8 28.7 50.0 325 57 B V < - 0 0 15 -5,-2.0 -1,-0.2 -6,-0.3 2,-0.2 -0.661 48.6-118.8 -85.4 132.8 -14.9 25.0 48.8 326 58 B E - 0 0 174 -2,-0.4 2,-1.0 1,-0.1 5,-0.1 -0.478 17.7-135.5 -71.7 134.7 -14.9 24.4 45.0 327 59 B I + 0 0 18 -2,-0.2 -1,-0.1 4,-0.1 -47,-0.1 -0.752 44.7 148.9 -94.2 93.8 -17.9 22.6 43.6 328 60 B G > - 0 0 36 -2,-1.0 4,-2.8 4,-0.0 5,-0.2 -0.044 62.6 -55.2-104.6-152.5 -16.6 20.0 41.2 329 61 B E H > S+ 0 0 165 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.949 134.5 43.8 -53.3 -58.3 -17.5 16.5 40.0 330 62 B D H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.886 113.4 52.0 -57.5 -42.1 -17.7 14.9 43.5 331 63 B A H > S+ 0 0 3 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.940 111.2 47.0 -60.8 -47.8 -19.6 17.9 44.9 332 64 B I H X S+ 0 0 13 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.937 113.4 49.4 -58.5 -46.6 -22.1 17.7 42.1 333 65 B S H X S+ 0 0 10 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.806 113.7 45.3 -63.1 -33.6 -22.5 14.0 42.7 334 66 B S H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.939 114.2 46.4 -75.7 -49.6 -22.9 14.4 46.5 335 67 B L H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.907 112.3 56.2 -55.6 -38.3 -25.4 17.3 46.1 336 68 B A H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.3 -2,-0.2 0.956 108.5 43.2 -56.5 -55.0 -26.9 14.9 43.5 337 69 B A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.931 106.3 64.5 -57.8 -46.5 -27.2 12.1 46.1 338 70 B L H X S+ 0 0 0 -4,-3.3 4,-1.1 1,-0.2 3,-0.3 0.896 105.7 42.6 -41.7 -57.2 -28.5 14.6 48.6 339 71 B E H X S+ 0 0 9 -4,-1.9 4,-2.3 1,-0.2 3,-0.3 0.885 108.9 57.3 -61.8 -43.2 -31.6 15.3 46.6 340 72 B L H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.847 100.6 57.9 -58.9 -35.0 -32.3 11.7 45.6 341 73 B V H X S+ 0 0 4 -4,-2.0 4,-1.4 -3,-0.3 -1,-0.2 0.918 110.0 44.3 -60.4 -43.2 -32.5 10.7 49.3 342 74 B H H X S+ 0 0 36 -4,-1.1 4,-1.4 -3,-0.3 -2,-0.2 0.881 111.2 53.9 -67.8 -39.9 -35.3 13.2 49.8 343 75 B L H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 3,-0.4 0.907 103.6 56.2 -61.3 -42.3 -37.0 12.1 46.5 344 76 B A H X S+ 0 0 6 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.912 107.0 50.3 -55.4 -43.6 -37.0 8.5 47.8 345 77 B S H X S+ 0 0 24 -4,-1.4 4,-1.9 1,-0.2 -1,-0.3 0.793 108.3 52.9 -66.0 -30.3 -38.9 9.7 50.8 346 78 B L H X S+ 0 0 26 -4,-1.4 4,-2.0 -3,-0.4 -2,-0.2 0.915 104.2 54.0 -72.1 -44.6 -41.4 11.5 48.7 347 79 B L H X S+ 0 0 4 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.926 112.7 45.6 -54.8 -45.3 -42.2 8.5 46.5 348 80 B H H X S+ 0 0 12 -4,-1.7 4,-1.7 1,-0.2 3,-0.5 0.882 107.6 55.4 -67.2 -40.6 -43.0 6.5 49.7 349 81 B D H X S+ 0 0 27 -4,-1.9 4,-1.4 1,-0.2 6,-0.2 0.851 106.6 53.8 -61.7 -32.8 -45.1 9.3 51.3 350 82 B D H <>S+ 0 0 7 -4,-2.0 5,-1.2 2,-0.2 4,-0.3 0.769 105.6 49.9 -74.2 -27.9 -47.3 9.3 48.2 351 83 B V H <5S+ 0 0 16 -4,-1.0 3,-0.4 -3,-0.5 -1,-0.2 0.894 113.0 48.0 -75.3 -40.1 -48.1 5.6 48.2 352 84 B I H <5S+ 0 0 51 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.798 116.2 43.1 -68.4 -31.6 -49.1 5.8 51.9 353 85 B D T <5S- 0 0 78 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.467 102.1-133.1 -93.4 -3.5 -51.2 8.8 51.4 354 86 B G T 5 + 0 0 53 -3,-0.4 -3,-0.2 -4,-0.3 -4,-0.1 0.777 43.5 174.0 56.5 23.9 -52.7 7.4 48.2 355 87 B A < - 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